N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21N9O2 — CID 137449330

About N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449330) has the molecular formula C21H21N9O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449330
• Molecular Formula: C21H21N9O2
• Molecular Weight: 431.46 g/mol
• Exact Mass: 431.18
• IUPAC Name: N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3ccnc(C)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12
• InChI: InChI=1S/C21H21N9O2/c1-12-23-8-7-17(25-12)29-9-3-4-15(21(29)32)27-16-10-18(22-2)30-19(28-16)14(11-24-30)20(31)26-13-5-6-13/h3-4,7-11,13,22H,5-6H2,1-2H3,(H,26,31)(H,27,28)
• InChIKey: ZENHTCBJMVVPNT-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 131.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.46
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449330) is N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccnc(C)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12.

What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZENHTCBJMVVPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O2/c1-12-23-8-7-17(25-12)29-9-3-4-15(21(29)32)27-16-10-18(22-2)30-19(28-16)14(11-24-30)20(31)26-13-5-6-13/h3-4,7-11,13,22H,5-6H2,1-2H3,(H,26,31)(H,27,28).

What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).